PDB entry 3mj2

View 3mj2 on RCSB PDB site
Description: X-ray crystal structure of ITK complexed with inhibitor BMS-509744
Class: Transferase
Keywords: helix C-out, substrate blocking activation loop conformation, Transferase
Deposited on 2010-04-12, released 2010-06-30
The last revision prior to the SCOPe 2.03 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.208
AEROSPACI score: 0.45 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Tyrosine-protein kinase ITK/TSK
    Species: Homo sapiens [TaxId:9606]
    Gene: ITK, EMT, LYK
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q08881 (2-End)
      • engineered (122)
      • engineered (259)
    Domains in SCOPe 2.03: d3mj2a_
  • Heterogens: MJG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3mj2A (A:)
    gsvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmkls
    hpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayle
    easvihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfsfsr
    yssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhc
    wkerpedrpafsrllrqlaaiaasgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3mj2A (A:)
    vidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmklshp
    klvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayleea
    svihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfsfsrys
    sksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhcwk
    erpedrpafsrllrqlaai